CID 117649

25844-12-6

Structural Information

Molecular Formula
C12H18O2
SMILES
CC1=CC(=C(C(=C1)C(C)(C)C)O)CO
InChI
InChI=1S/C12H18O2/c1-8-5-9(7-13)11(14)10(6-8)12(2,3)4/h5-6,13-14H,7H2,1-4H3
InChIKey
OVXVAICEGAXQFZ-UHFFFAOYSA-N
Compound name
2-tert-butyl-6-(hydroxymethyl)-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

194.13068 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.137956 143.7
[M+Na]+ 217.119898 152.3
[M-H]- 193.123404 145.5
[M+NH4]+ 212.164503 163.0
[M+K]+ 233.093838 149.5
[M+H-H2O]+ 177.127940 139.3
[M+HCOO]- 239.128881 163.2
[M+CH3COO]- 253.144531 182.4
[M+Na-2H]- 215.105346 148.1
[M]+ 194.13013142 144.5
[M]- 194.13122858 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe